N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride

C15H25ClN2OS — CID 119570046

IUPACN-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1csc2c1CCCC2.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-3-15(4-2,10-16)17-14(18)12-9-19-13-8-6-5-7-11(12)13;/h9H,3-8,10,16H2,1-2H3,(H,17,18);1H
InChIKeyYKTLTFHNUDPKME-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.30
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride (PubChem CID 119570046) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
PubChem CID119570046
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1csc2c1CCCC2.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-3-15(4-2,10-16)17-14(18)12-9-19-13-8-6-5-7-11(12)13;/h9H,3-8,10,16H2,1-2H3,(H,17,18);1H
InChIKeyYKTLTFHNUDPKME-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119571835
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43394066
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 13308348
N-(3-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43016539
ethyl 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoate
CID 769095
N-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18863092
N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3244633
4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoic acid
CID 1225770
N-(3-propylsulfanylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 20881787
N-[2-(dibutylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 20881885
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299
N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 3119755

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride (CID 119570046) is N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)c1csc2c1CCCC2.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
The InChIKey is YKTLTFHNUDPKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-3-15(4-2,10-16)17-14(18)12-9-19-13-8-6-5-7-11(12)13;/h9H,3-8,10,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119570046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).